Geometry & MOs

Info

ID:	297153
PubChem CID:	117610561
Reduced:	ClSN3O3C22H26 (1)
Stoich.:	ABC3D3E22F26 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	8.62
IP(EA), eV:	-8.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,5S)-3-prop-2-enoxy-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)C2=CCSC2)NCC(=O)N3CC4CN(CC4C3)C(=O)C=C

DOS

IR

Vibrations